Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7089296 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16710205 | 0.78 | SIGMAR1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15224521 | 0.77 | SCN2A (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15224520 | 0.77 | SCN2A (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL834358 | 0.77 | ALDH1A1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18543887 | 0.76 | SIGMAR1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18543888 | 0.76 | SIGMAR1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27689880 | 0.75 | SCN2A (0.67) | SCN2ASIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7089233 | 0.75 | SIGMAR1 (0.50) | CYP2C9SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7089231 | 0.75 | SIGMAR1 (0.50) | CYP2C9SIGMAR1GRIN2DGRIN3BGRIN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003084662-A2 | COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS | CELANESE VENTURES GMBH (DE) | 2003-10-16 | — | — | WO | disclosed |